10967/131 - QDB Compounds

QsarDB Repository

Pan, Y.; Zhang, Y.; Jiang, J.; Ding, L. Prediction of the self-accelerating decomposition temperature of organic peroxides using the quantitative structure–property relationship (QSPR) approach. J. Loss Prev. Process Ind. 2014, 31, 41–49.

Compound

ID:17
Name:Diisopropylbenzene hydroperoxide
Description:Incompletely Defined Substance in SciFinder
Labels:Training
CAS:26762-93-6
InChi Code:

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
65

Yu, Y.; Hasegawa, K. Derivation of the self-accelerating decomposition temperature for self-reactive substances using isothermal calorimetry. Journal of Hazardous Materials 1996, 45, 193-205. http://dx.doi.org/10.1016/0304-3894(95)00092-5

69.7

Eq3: Model for self-accelerating decomposition temperature (Training set)

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